1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid

C11H13FN2O4S — CID 63721737

IUPAC1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2cncc(F)c2)CC1C(=O)O
InChIInChI=1S/C11H13FN2O4S/c1-7-5-14(6-10(7)11(15)16)19(17,18)9-2-8(12)3-13-4-9/h2-4,7,10H,5-6H2,1H3,(H,15,16)
InChIKeyZSRQIIMJDAHSKT-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.56
Rot. Bonds3

About 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid

1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721737) has the molecular formula C11H13FN2O4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721737
Molecular FormulaC11H13FN2O4S
Molecular Weight288.30 g/mol
Exact Mass288.06
IUPAC Name1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2cncc(F)c2)CC1C(=O)O
InChIInChI=1S/C11H13FN2O4S/c1-7-5-14(6-10(7)11(15)16)19(17,18)9-2-8(12)3-13-4-9/h2-4,7,10H,5-6H2,1H3,(H,15,16)
InChIKeyZSRQIIMJDAHSKT-UHFFFAOYSA-N
XLogP0.56
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63721737) is 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid is CC1CN(S(=O)(=O)c2cncc(F)c2)CC1C(=O)O.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZSRQIIMJDAHSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4S/c1-7-5-14(6-10(7)11(15)16)19(17,18)9-2-8(12)3-13-4-9/h2-4,7,10H,5-6H2,1H3,(H,15,16).
What are the key properties of 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).